SCHEMBL3939986

SCHEMBL3939986

CCOc1ccccc1/C(=C\C=C\C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAOB P27338 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
RAB9A P51151 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ANXA2 P07355 1/20 0.40
S100A10 P60903 1/20 0.40
HCRTR1 O43613 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3939989 1.00 HPGD (0.44) HPGDCYP1A1CYP1B1LMNASMN1; SMN2
SCHEMBL3939990 1.00 HPGD (0.44) HPGDCYP1A1CYP1B1LMNASMN1; SMN2
SCHEMBL4094788 0.87 CYP1A1 (0.44) CYP1A1CYP1B1LMNASMN1; SMN2MAOB
SCHEMBL4094791 0.87 CYP1A1 (0.44) CYP1A1CYP1B1LMNASMN1; SMN2MAOB
SCHEMBL4094783 0.87 CYP1A1 (0.44) CYP1A1CYP1B1LMNASMN1; SMN2MAOB
SCHEMBL3941605 0.84 RXFP1 (0.43) CYP1A1CYP1B1SMN1; SMN2MAOBMEN1
SCHEMBL3941608 0.84 RXFP1 (0.43) CYP1A1CYP1B1SMN1; SMN2MAOBMEN1
SCHEMBL3941610 0.84 RXFP1 (0.43) CYP1A1CYP1B1SMN1; SMN2MAOBMEN1
SCHEMBL3940154 0.82 CYP1A1 (0.59) CYP1A1CYP1B1MAOBKMT2A
SCHEMBL3940152 0.82 CYP1A1 (0.59) CYP1A1CYP1B1MAOBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 HPGD 2011/4885CYP1A1 916/4885CYP1B1 382/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.